Information card for entry 7240000

Structure parameters

• Formula: C15 H7 Cl2 N2 O3 Re
• Calculated formula: C15 H7 Cl2 N2 O3 Re
• SMILES: [Re]1([n]2c(ccc3c2c2[n]1cccc2cc3)Cl)(Cl)(C#[O])(C#[O])C#[O]
• Title of publication: Rhenium(i) complexation‒dissociation strategy for synthesising fluorine-18 labelled pyridine bidentate radiotracers
• Authors of publication: Klenner, Mitchell A.; Zhang, Bo; Ciancaleoni, Gianluca; Howard, James K.; Maynard-Casely, Helen E.; Clegg, Jack K.; Massi, Massimiliano; Fraser, Benjamin H.; Pascali, Giancarlo
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 15
• Pages of publication: 8853 - 8865
• a: 8.193 ± 0.0016 Å
• b: 8.687 ± 0.0017 Å
• c: 10.559 ± 0.002 Å
• α: 95.04 ± 0.03°
• β: 93.13 ± 0.03°
• γ: 97.76 ± 0.03°
• Cell volume: 740.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No